NANO-D - 2018 - Annual activity report

NANO-D

NANO-D - 2018

Project-Team Nano-d

Team, Visitors, External Collaborators

Overall Objectives

Research Program

Highlights of the Year

New Software and Platforms

New Results

Generating conformational transition paths with low potential-energy barriers for proteins
ART-RRT: As-Rigid-As-Possible Exploration of Ligand Unbinding Pathways
Atomistic modelling and simulation of transmission electron microscopy images: application to intrinsic defects of graphene
Impact of hydrogen on graphene-based materials: atomistic modeling and simulation of HRSTEM images.
Atomistic modelling of diamond-type Si $_{x}$ Ge $_{y}$ C $_{z}$ Sn $_{1 - x - y - z}$ crystals for realistic transmission electron microscopy image simulations
Analytical symmetry detection method AnAnaS
Deep Learning for Symmetry detection
New method for protein model quality assessment Ornate

Partnerships and Cooperations

Dissemination

Bibliography

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Section: New Software and Platforms

Ananas

Analytical Analyzer of Symmetries

Keywords: Bioinformatics - Structural Biology

Functional Description: Analytical Analyzer of Symmetries is a software for detection and assessment of the quality of symmetry in a protein assembly.

This software can : Detect the best axes of symmetry for any symmetry group in an assembly containing the right amount of chains, Provide the symmetry-aware RMSD for these axes, Detect the best axis of symmetry for cyclic assemblies with missing subunits, Compute the axes of symmetry with user-provided correspondences.

Participants: Guillaume Pages and Sergey Grudinin
Contact: Sergey Grudinin
Publications: Analytical symmetry detection in protein assemblies. I. Cyclic symmetries - Analytical symmetry detection in protein assemblies. II. Dihedral and Cubic symmetries
URL: https://team.inria.fr/nano-d/software/ananas/

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